methyl 3-[(4-cyanophenyl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-cyanophenyl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-cyanophenyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-cyanophenyl)methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-cyanophenyl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-cyanobenzyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c1-25-17(22)14-6-13(7-15(8-14)20(23)24)16(21)19-10-12-4-2-11(9-18)3-5-12/h2-8H,10H2,1H3,(H,19,21)